(1-acetyloxy-2-ethylpent-2-enyl) acetate

C11H18O4 — CID 123713583

IUPAC(1-acetyloxy-2-ethylpent-2-enyl) acetate
SMILESCCC=C(CC)C(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H18O4/c1-5-7-10(6-2)11(14-8(3)12)15-9(4)13/h7,11H,5-6H2,1-4H3
InChIKeyNXMRVEZIZGFDBM-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.19
Rot. Bonds5

About (1-acetyloxy-2-ethylpent-2-enyl) acetate

(1-acetyloxy-2-ethylpent-2-enyl) acetate (PubChem CID 123713583) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (1-acetyloxy-2-ethylpent-2-enyl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-2-ethylpent-2-enyl) acetate
PubChem CID123713583
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(1-acetyloxy-2-ethylpent-2-enyl) acetate
SMILESCCC=C(CC)C(OC(C)=O)OC(C)=O
InChIInChI=1S/C11H18O4/c1-5-7-10(6-2)11(14-8(3)12)15-9(4)13/h7,11H,5-6H2,1-4H3
InChIKeyNXMRVEZIZGFDBM-UHFFFAOYSA-N
XLogP2.19
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hex-3-en-3-ylpropanedioic acid
CID 150181024
1-acetyloxybut-1-enyl acetate
CID 18688720
[(E)-pent-2-en-2-yl] acetate
CID 12958660
propane;propan-2-yl acetate
CID 23325886
[(E)-1-acetyloxy-2-methylbut-2-enyl] acetate
CID 18359389
butan-2-yl acetate;prop-2-enoic acid
CID 167635036
[(E)-5-ethyl-4-methyloct-5-en-2-yl]phosphane
CID 155275044
[(2R,3S)-3-methyl-4-oxohexan-2-yl] acetate
CID 10931886
(1-acetyloxy-3-oxopropyl) acetate
CID 88624567
bis[(E)-pent-2-en-2-yl] carbonate
CID 89437425
1-dichlorosilylethyl acetate
CID 173076621
(Z)-2-propan-2-yloxypent-2-ene
CID 145137792

Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-2-ethylpent-2-enyl) acetate?
The IUPAC name of (1-acetyloxy-2-ethylpent-2-enyl) acetate (CID 123713583) is (1-acetyloxy-2-ethylpent-2-enyl) acetate.
What is the SMILES notation for (1-acetyloxy-2-ethylpent-2-enyl) acetate?
The canonical SMILES for (1-acetyloxy-2-ethylpent-2-enyl) acetate is CCC=C(CC)C(OC(C)=O)OC(C)=O.
What is the InChIKey of (1-acetyloxy-2-ethylpent-2-enyl) acetate?
The InChIKey is NXMRVEZIZGFDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-7-10(6-2)11(14-8(3)12)15-9(4)13/h7,11H,5-6H2,1-4H3.
What are the key properties of (1-acetyloxy-2-ethylpent-2-enyl) acetate?
(1-acetyloxy-2-ethylpent-2-enyl) acetate has a molecular weight of 214.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-2-ethylpent-2-enyl) acetate is sourced from PubChem (CID 123713583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).